3391-6620 Screening compound: ethyl 2-[(4-methylquinazolin-2-yl)sulfanyl]acetate

3391-6620 Screening compound: ethyl 2-[(4-methylquinazolin-2-yl)sulfanyl]acetate
3391-6620 Screening compound: ethyl 2-[(4-methylquinazolin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3391-6620
ethyl 2-[(4-methylquinazolin-2-yl)sulfanyl]acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3391-6620

Molecular Formula

C13H14N2O2S (C13 H14 N2 O2 S)

Compound Name

ethyl 2-[(4-methylquinazolin-2-yl)sulfanyl]acetate

IUPAC name

ethyl 2-[(4-methylquinazolin-2-yl)sulfanyl]acetate

SMILES

CCOC(CSc1nc2ccccc2c(C)n1)=O

InChI

InChI=1S/C13H14N2O2S/c1-3-17-12(16)8-18-13-14-9(2)10-6-4-5-7-11(10)15-13/h4-7H,3,8H2,1-2H3

InChI Key

CWDHKWDMENQUIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01943915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.968

Distribution Coefficient, logD

2.968

Water Solubility, LogSw

-2.97

Polar Surface Area

37.982

Acid Dissociation Constant (pKa)

17.51

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

3391-6620 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Structure:
  • Pool
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3391-6620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3391-6620?
Check Price and Availability of 3391-6620, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3391-6620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3391-6620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3391-6620
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3391-6620 available by request